. Author manuscript; available in PMC: 2013 Jan 1.

Published in final edited form as: Biopolymers. 2011 Jul 25;97(1):35–44. doi: 10.1002/bip.21699

Table 3.

DEER distances (R_exp, Å)²³ and distances calculated by PRONOX (R_calc, Å) for pairs of spin labels in three conformers (40°, 90°, 140°) of endophilin.

	Site 1	Site 2	R_exp	R_calc 40°	R_calc 90°	R_calc 140°	R_calc Average
BAR Domain	96A	96B	38	37.8	37.9	38.0	37.9
	166A	210A	43	40.7	40.7	40.7	40.7
	178A	200A	31	37.4	37.4	37.4	37.4
	216A	216B	37	40.8	40.8	40.8	40.8 ^d
	227A	227B	9 ^c	10.9	10.9	10.9	10.9
Central Region	63A ^a	63B	9 ^c	14.2	14.6	9.8	12.9
	64A ^b	64B	18	16.7	19.6	18.4	18.2
	65A ^b	65B	24	24.3	33.1	27.7	28.4
	66A ^a	66B	19	21.0	25.6	16.6	21.1
	67A ^b	67B	23	24.4	17.4	17.7	19.8
	70A ^a	70B	28	31.2	29.3	25.7	28.7
	71A ^b	71B	37	37.3	29.0	33.2	33.2
	73A ^a	73B	41	44.1	45.4	39.1	42.9
	74A ^a	74B	44	47.3	42.7	42.2	44.1
	75A ^a	75B	42	52.6	42.9	49.4	48.3
	77A ^a	77B	49	55.0	51.6	55.8	54.1
	78A ^a	78B	44	43.4	44.3	45.5	44.4

Data from labels at these positions were used in simulated annealing calculations in the original derivation of the structure²³

Data from labels at these positions were not used in derivation of the structure²³

Distance from continuous-wave EPR

Obtained using the fine search approach. Standard conditions only gave one conformer at each site (inter-label distance 44.6 Å)